3771-8236 Screening compound: [3,4-bis(acetyloxy)-5-acetamido-6-[2-(octylcarbamoyl)phenoxy]oxan-2-yl]methyl acetate

3771-8236 Screening compound: [3,4-bis(acetyloxy)-5-acetamido-6-[2-(octylcarbamoyl)phenoxy]oxan-2-yl]methyl acetate
3771-8236 Screening compound: [3,4-bis(acetyloxy)-5-acetamido-6-[2-(octylcarbamoyl)phenoxy]oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3771-8236
[3,4-bis(acetyloxy)-5-acetamido-6-[2-(octylcarbamoyl)phenoxy]oxan-2-yl]methyl acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3771-8236

Molecular Formula

C29H42N2O10 (C29 H42 N2 O10)

Compound Name

[3,4-bis(acetyloxy)-5-acetamido-6-[2-(octylcarbamoyl)phenoxy]oxan-2-yl]methyl acetate

IUPAC name

[(2R3S4R5R6S)-34-bis(acetyloxy)-5-acetamido-6-[2-(octylcarbamoyl)phenoxy]oxan-2-yl]methyl acetate

SMILES

CCCCCCCCNC(c(cccc1)c1O[C@H]([C@H]([C@@H]1OC(C)=O)NC(C)=O)O[C@@H](COC(C)=O)[C@@H]1OC(C)=O)=O

InChI

InChI=1S/C29H42N2O10/c1-6-7-8-9-10-13-16-30-28(36)22-14-11-12-15-23(22)40-29-25(31-18(2)32)27(39-21(5)35)26(38-20(4)34)24(41-29)17-37-19(3)33/h11-12,14-15,24-27,29H,6-10,13,16-17H2,1-5H3,(H,30,36)(H,31,32)/t24-,25-,26+,27+,29-/m0/s1

InChI Key

ZIKYHQCSKFSCGQ-ZYIIXBBUSA-N

MDL Number (MFCD)

MFCD02128843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.66

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

3.972

Water Solubility, LogSw

-4.19

Polar Surface Area

127.496

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

62.10

3771-8236 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3771-8236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3771-8236?
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What is the minimum amount of 3771-8236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3771-8236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3771-8236
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3771-8236 available by request